Lucerastat

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Lucerastat
DrugBank Accession Number
DB14872
Background

Lucerastat is under investigation in clinical trial NCT03425539 (Efficacy and Safety of Lucerastat Oral Monotherapy in Adult Subjects With Fabry Disease).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 219.281
Monoisotopic: 219.14705816
Chemical Formula
C10H21NO4
Synonyms
  • Lucerastat

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
GVS3YDM418
CAS number
141206-42-0
InChI Key
UQRORFVVSGFNRO-XFWSIPNHSA-N
InChI
InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
IUPAC Name
(2R,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILES
CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO

References

General References
Not Available
ChemSpider
438653
BindingDB
50312528
ChEMBL
CHEMBL1086997
ZINC
ZINC000013719785

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentFabry's Disease1
3CompletedTreatmentFabry's Disease1
1CompletedNot AvailableHealthy Volunteers (HV)2
1CompletedOtherHealthy Volunteers (HV)2
1CompletedTreatmentFabry's Disease1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility331.0 mg/mLALOGPS
logP-1.1ALOGPS
logP-1.2Chemaxon
logS0.18ALOGPS
pKa (Strongest Acidic)12.9Chemaxon
pKa (Strongest Basic)8.49Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area84.16 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity55.74 m3·mol-1Chemaxon
Polarizability23.66 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0090000000-67d12d358455133ef139
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0290000000-1d6fe2d816b7f9a0957f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-2970000000-817317f8d1c96e109b30
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0690000000-7acbe1d54f954f471843
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-7900000000-b694ad05a2103ca16c1c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-059x-9200000000-b9e57aa074ce0504de0a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-157.0037872
predicted
DarkChem Lite v0.1.0
[M+H]+156.7779872
predicted
DarkChem Lite v0.1.0
[M+Na]+156.6687872
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:32 / Updated at February 21, 2021 18:54